![Y5T Y5T](https://data.pdbj.org/pdbjplus/data/cc/svg/Y5T.svg) | Y5T | Name: | 2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide | Formula: | C13 H10 Cl N3 O3 | SMILES: | Cc1cc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)ccn1 | InChi: | InChI=1S/C13H10ClN3O3/c1-8-6-9(4-5-15-8)16-13(18)11-7-10(17(19)20)2-3-12(11)14/h2-7H,1H3,(H,15,16,18) | Definition date: | 2023-01-05 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide |
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![Y5X Y5X](https://data.pdbj.org/pdbjplus/data/cc/svg/Y5X.svg) | Y5X | Name: | 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide | Formula: | C12 H7 Cl F N3 O3 | SMILES: | O=C(Nc1cc(F)cnc1)c1cc(ccc1Cl)[N+]([O-])=O | InChi: | InChI=1S/C12H7ClFN3O3/c13-11-2-1-9(17(19)20)4-10(11)12(18)16-8-3-7(14)5-15-6-8/h1-6H,(H,16,18) | Definition date: | 2023-01-05 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide |
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![WCK WCK](https://data.pdbj.org/pdbjplus/data/cc/svg/WCK.svg) | WCK | Name: | (4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine | Formula: | C18 H20 N6 O S | SMILES: | Cc1nc(N)sc1c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1 | InChi: | InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23) | Definition date: | 2023-09-29 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | (4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine |
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![VIJ VIJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VIJ.svg) | VIJ | Name: | 2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid | Formula: | C21 H23 N O3 | SMILES: | CCCCCc1ccc(C=CC(=O)Nc2ccccc2C(O)=O)cc1 | InChi: | InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+ | Synonyms: | N-(p-Amylcinnamoyl)anthranilic acid | Definition date: | 2023-09-13 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid |
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![KJ9 KJ9](https://data.pdbj.org/pdbjplus/data/cc/svg/KJ9.svg) | KJ9 | Name: | (2R,5S,8S)-2,5-dihydroxy-5,10-dioxo-8-[(undecanoyloxy)methyl]-4,6,9-trioxa-5lambda~5~-phosphahenicosan-1-yl 3-deoxy-alpha-L-altro-oct-2-ulopyranosidonic acid | Formula: | C37 H69 O17 P | SMILES: | CCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)OCC(O)COC1(CC(O)C(O)C(O1)C(O)CO)C(=O)O | InChi: | InChI=1S/C37H69O17P/c1-3-5-7-9-11-13-15-17-19-21-33(43)53-29(26-49-32(42)20-18-16-14-12-10-8-6-4-2)27-52-55(47,48)51-25-28(39)24-50-37(36(45)46)22-30(40)34(44)35(54-37)31(41)23-38/h28-31,34-35,38-41,44H,3-27H2,1-2H3,(H,45,46)(H,47,48)/t28-,29+,30+,31+,34-,35+,37+/m1/s1 | Definition date: | 2023-08-14 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | (2R,5S,8S)-2,5-dihydroxy-5,10-dioxo-8-[(undecanoyloxy)methyl]-4,6,9-trioxa-5lambda~5~-phosphahenicosan-1-yl 3-deoxy-alpha-L-altro-oct-2-ulopyranosidonic acid |
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![VY9 VY9](https://data.pdbj.org/pdbjplus/data/cc/svg/VY9.svg) | VY9 | Name: | (3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid | Formula: | C12 H23 N O4 | SMILES: | CCCCCCC[CH](CC(O)=O)NCC(O)=O | InChi: | InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17) | Definition date: | 2023-09-03 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | (3~{R})-3-(2-hydroxy-2-oxoethylamino)decanoic acid |
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![ZUV ZUV](https://data.pdbj.org/pdbjplus/data/cc/svg/ZUV.svg) | ZUV | Name: | ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate | Formula: | C17 H31 F N O4 P | SMILES: | FP(=O)(CCCCCCCCCCOC(=O)NCCC#C)OCC | InChi: | InChI=1S/C17H31FNO4P/c1-3-5-14-19-17(20)22-15-12-10-8-6-7-9-11-13-16-24(18,21)23-4-2/h1H,4-16H2,2H3,(H,19,20)/t24-/m1/s1 | Definition date: | 2023-04-04 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate |
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![V3X V3X](https://data.pdbj.org/pdbjplus/data/cc/svg/V3X.svg) | V3X | Name: | (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide | Formula: | C16 H21 F N2 O2 S | SMILES: | CC(C)[CH](S)C(=O)N[CH](CO)Cc1c[nH]c2cccc(F)c12 | InChi: | InChI=1S/C16H21FN2O2S/c1-9(2)15(22)16(21)19-11(8-20)6-10-7-18-13-5-3-4-12(17)14(10)13/h3-5,7,9,11,15,18,20,22H,6,8H2,1-2H3,(H,19,21)/t11-,15-/m0/s1 | Definition date: | 2023-07-05 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide |
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![UEX UEX](https://data.pdbj.org/pdbjplus/data/cc/svg/UEX.svg) | UEX | Name: | 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid | Formula: | C25 H23 Cl N6 O3 | SMILES: | C[CH](Nc1ccc(Cl)nc1C(O)=O)c2cc(C)cc3C(=O)N(C)C(=Nc23)N4Cc5ccncc5C4 | InChi: | InChI=1S/C25H23ClN6O3/c1-13-8-17(14(2)28-19-4-5-20(26)29-22(19)24(34)35)21-18(9-13)23(33)31(3)25(30-21)32-11-15-6-7-27-10-16(15)12-32/h4-10,14,28H,11-12H2,1-3H3,(H,34,35)/t14-/m1/s1 | Definition date: | 2023-09-08 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 6-chloranyl-3-[[(1~{R})-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid |
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![VN6 VN6](https://data.pdbj.org/pdbjplus/data/cc/svg/VN6.svg) | VN6 | Name: | 5-[[3-(aminomethyl)azetidin-1-yl]methyl]-N-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide | Formula: | C30 H37 N9 O5 S2 | SMILES: | CN(c1ccc(CN2CC(CN)C2)cc1C(=O)Nc3ccc(cc3)[S](=O)(=O)N4CCN(CC4)c5nc(C)cc(n5)C#N)[S](C)(=O)=O | InChi: | InChI=1S/C30H37N9O5S2/c1-21-14-25(17-32)35-30(33-21)38-10-12-39(13-11-38)46(43,44)26-7-5-24(6-8-26)34-29(40)27-15-22(18-37-19-23(16-31)20-37)4-9-28(27)36(2)45(3,41)42/h4-9,14-15,23H,10-13,16,18-20,31H2,1-3H3,(H,34,40) | Definition date: | 2023-09-14 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 5-[[3-(aminomethyl)azetidin-1-yl]methyl]-~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide |
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![V83 V83](https://data.pdbj.org/pdbjplus/data/cc/svg/V83.svg) | V83 | Name: | (1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid | Formula: | C19 H23 N O5 S | SMILES: | O=C(O)C1CC=CCC1C(=O)Nc1sc2CCCCCc2c1C(=O)OC | InChi: | InChI=1S/C19H23NO5S/c1-25-19(24)15-13-9-3-2-4-10-14(13)26-17(15)20-16(21)11-7-5-6-8-12(11)18(22)23/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,21)(H,22,23)/t11-,12-/m1/s1 | Definition date: | 2023-09-11 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | (1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
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![XIU XIU](https://data.pdbj.org/pdbjplus/data/cc/svg/XIU.svg) | XIU | Name: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide | Formula: | C24 H19 Cl N6 O | SMILES: | Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c4ccc(cc4)c5[nH]cnc5)c1 | InChi: | InChI=1S/C24H19ClN6O/c25-19-5-3-4-17(12-19)14-30(20-10-8-18(9-11-20)22-13-26-16-27-22)24(32)15-31-23-7-2-1-6-21(23)28-29-31/h1-13,16H,14-15H2,(H,26,27) | Synonyms: | CCF0058981 | Definition date: | 2023-11-03 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide |
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![VQ9 VQ9](https://data.pdbj.org/pdbjplus/data/cc/svg/VQ9.svg) | VQ9 | Name: | 2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide | Formula: | C26 H27 F3 N4 O5 S2 | SMILES: | CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F)[S](C)(=O)=O | InChi: | InChI=1S/C26H27F3N4O5S2/c1-31(39(2,35)36)24-9-4-3-8-23(24)25(34)30-20-10-12-22(13-11-20)40(37,38)33-16-14-32(15-17-33)21-7-5-6-19(18-21)26(27,28)29/h3-13,18H,14-17H2,1-2H3,(H,30,34) | Definition date: | 2023-09-18 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide |
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![ZM5 ZM5](https://data.pdbj.org/pdbjplus/data/cc/svg/ZM5.svg) | ZM5 | Name: | (2R)-2-(tridecanoyloxy)propyl hexadecanoate | Formula: | C32 H62 O5 | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCC | InChi: | InChI=1S/C32H62O5/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-31(34)36-29-30(28-33)37-32(35)27-25-23-21-18-14-12-10-8-6-4-2/h30,33H,3-29H2,1-2H3/t30-/m1/s1 | Synonyms: | (3-oxidanyl-2-tridecanoyloxy-propyl) hexadecanoate | Definition date: | 2024-01-22 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | (3-oxidanyl-2-tridecanoyloxy-propyl) hexadecanoate |
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![A2U A2U](https://data.pdbj.org/pdbjplus/data/cc/svg/A2U.svg) | A2U | Name: | S-Ethyl-CoA | Formula: | C23 H40 N7 O16 P3 S | SMILES: | CCSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C23H40N7O16P3S/c1-4-50-8-7-25-14(31)5-6-26-21(34)18(33)23(2,3)10-43-49(40,41)46-48(38,39)42-9-13-17(45-47(35,36)37)16(32)22(44-13)30-12-29-15-19(24)27-11-28-20(15)30/h11-13,16-18,22,32-33H,4-10H2,1-3H3,(H,25,31)(H,26,34)(H,38,39)(H,40,41)(H2,24,27,28)(H2,35,36,37)/t13-,16-,17-,18+,22+/m1/s1 | Definition date: | 2023-07-17 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | [[(2~{R},3~{S},4~{R},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-(2-ethylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate |
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![Q9O Q9O](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9O.svg) | Q9O | Name: | 4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol | Formula: | C15 H17 N O2 S | SMILES: | CN(C)Cc1ccccc1Sc2ccc(O)cc2O | InChi: | InChI=1S/C15H17NO2S/c1-16(2)10-11-5-3-4-6-14(11)19-15-8-7-12(17)9-13(15)18/h3-9,17-18H,10H2,1-2H3 | Definition date: | 2023-08-29 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol |
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![C74 C74](https://data.pdbj.org/pdbjplus/data/cc/svg/C74.svg) | C74 | Name: | 4-[5-[3-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine | Formula: | C16 H15 N4 O4 S | SMILES: | O=[S+](=O)Oc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23 | InChi: | InChI=1S/C16H15N4O4S/c21-25(22)24-12-3-1-2-11(8-12)13-9-17-15-14(13)16(19-10-18-15)20-4-6-23-7-5-20/h1-3,8-10H,4-7H2,(H,17,18,19)/q+1 | Definition date: | 2023-05-23 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 4-[5-[3-[bis(oxidanylidene)-$l^{5}-sulfanyl]oxyphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine |
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![S7L S7L](https://data.pdbj.org/pdbjplus/data/cc/svg/S7L.svg) | S7L | Name: | 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium | Formula: | C24 H22 N2 | SMILES: | C(c1ccccc1)[n+]2ccc(cc2)c3cc[n+](Cc4ccccc4)cc3 | InChi: | InChI=1S/C24H22N2/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22/h1-18H,19-20H2/q+2 | Definition date: | 2023-04-11 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium |
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![S8I S8I](https://data.pdbj.org/pdbjplus/data/cc/svg/S8I.svg) | S8I | Name: | 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium | Formula: | C14 H18 N2 | SMILES: | CC[n+]1ccc(cc1)c2cc[n+](CC)cc2 | InChi: | InChI=1S/C14H18N2/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14/h5-12H,3-4H2,1-2H3/q+2 | Definition date: | 2023-04-11 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium |
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![SY6 SY6](https://data.pdbj.org/pdbjplus/data/cc/svg/SY6.svg) | SY6 | Name: | N-[(6-cyanopyridin-3-yl)methyl]-5-oxidanyl-2-[(3R)-3-oxidanylpyrrolidin-1-yl]-1,7-naphthyridine-6-carboxamide | Formula: | C20 H18 N6 O3 | SMILES: | O[CH]1CCN(C1)c2ccc3c(O)c(ncc3n2)C(=O)NCc4ccc(nc4)C#N | InChi: | InChI=1S/C20H18N6O3/c21-7-13-2-1-12(8-22-13)9-24-20(29)18-19(28)15-3-4-17(25-16(15)10-23-18)26-6-5-14(27)11-26/h1-4,8,10,14,27-28H,5-6,9,11H2,(H,24,29)/t14-/m1/s1 | Definition date: | 2023-04-18 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | ~{N}-[(6-cyanopyridin-3-yl)methyl]-5-oxidanyl-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,7-naphthyridine-6-carboxamide |
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![SZO SZO](https://data.pdbj.org/pdbjplus/data/cc/svg/SZO.svg) | SZO | Name: | 5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one | Formula: | C22 H18 N2 O4 | SMILES: | Cc1c(ccc2N=CN(C(=O)c12)c3ccccc3)C(=O)C4=C(O)CCCC4=O | InChi: | InChI=1S/C22H18N2O4/c1-13-15(21(27)20-17(25)8-5-9-18(20)26)10-11-16-19(13)22(28)24(12-23-16)14-6-3-2-4-7-14/h2-4,6-7,10-12,25H,5,8-9H2,1H3 | Definition date: | 2023-04-19 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one |
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![TKC TKC](https://data.pdbj.org/pdbjplus/data/cc/svg/TKC.svg) | TKC | Name: | (2~{R})-5-[[[[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid | Formula: | C15 H23 N6 O16 P3 | SMILES: | N[CH](CCC(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O | InChi: | InChI=1S/C15H23N6O16P3/c16-6(15(25)26)1-2-8(22)35-39(29,30)37-40(31,32)36-38(27,28)33-3-7-10(23)11(24)14(34-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-7,10-11,14,23-24H,1-3,16H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H2,17,18,19)/t6-,7-,10-,11+,14-/m1/s1 | Definition date: | 2023-04-26 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | (2~{R})-5-[[[[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid |
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![TN9 TN9](https://data.pdbj.org/pdbjplus/data/cc/svg/TN9.svg) | TN9 | Name: | N-[[1-[2-[2-(2-hexoxyethoxy)ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl]-1-(1H-1,2,3-triazol-4-yl)-N-(2H-1,2,3-triazol-4-ylmethyl)methanamine | Formula: | C21 H36 N10 O3 | SMILES: | CCCCCCOCCOCCOCCn1cc(CN(Cc2cn[nH]n2)Cc3c[nH]nn3)nn1 | InChi: | InChI=1S/C21H36N10O3/c1-2-3-4-5-7-32-9-11-34-12-10-33-8-6-31-18-21(26-29-31)17-30(15-19-13-22-27-24-19)16-20-14-23-28-25-20/h13-14,18H,2-12,15-17H2,1H3,(H,22,24,27)(H,23,25,28) | Definition date: | 2023-04-27 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | ~{N}-[[1-[2-[2-(2-hexoxyethoxy)ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl]-1-(1~{H}-1,2,3-triazol-4-yl)-~{N}-(2~{H}-1,2,3-triazol-4-ylmethyl)methanamine |
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![DQC DQC](https://data.pdbj.org/pdbjplus/data/cc/svg/DQC.svg) | DQC | Name: | 7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile | Formula: | C9 H4 N4 O4 | SMILES: | [O-][N+](=O)c1c(C#N)cc2c(c1)NC(=O)C(=O)N2 | InChi: | InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15) | Definition date: | 2008-01-03 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile |
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![GXF GXF](https://data.pdbj.org/pdbjplus/data/cc/svg/GXF.svg) | GXF | Name: | 5'-S-{3-[N'-(4'-chloro[1,1'-biphenyl]-3-yl)carbamimidamido]propyl}-5'-thioadenosine | Formula: | C26 H29 Cl N8 O3 S | SMILES: | Clc1ccc(cc1)c1cc(ccc1)NC(=N)NCCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C26H29ClN8O3S/c27-17-7-5-15(6-8-17)16-3-1-4-18(11-16)34-26(29)30-9-2-10-39-12-19-21(36)22(37)25(38-19)35-14-33-20-23(28)31-13-32-24(20)35/h1,3-8,11,13-14,19,21-22,25,36-37H,2,9-10,12H2,(H2,28,31,32)(H3,29,30,34)/t19-,21-,22-,25-/m1/s1 | Definition date: | 2023-05-01 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 5'-S-{3-[N'-(4'-chloro[1,1'-biphenyl]-3-yl)carbamimidamido]propyl}-5'-thioadenosine |
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